ChemDiv2_007951
TL;DR: ChemDiv2_007951 (CAS 443349-56-2) is a chemical compound with molecular formula C22H21F2N3O2S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-difluorophenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one
Also Known As: ChemDiv2_007951, IDI1_006666, F0916-4311, 2-((2,6-difluorobenzyl)thio)-3-(3-(2-oxopyrrolidin-1-yl)propyl)quinazolin-4(3H)-one, 2-[(2,6-difluorophenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one
| Molecular Formula | C22H21F2N3O2S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 3.9795 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.13226 |
| Heavy Atoms | 30 |
| Complexity | 1128.671 |
Chemical Identifiers
| CAS Number | 443349-56-2 |
|---|---|
| SMILES | C1CC(=O)N(C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4F)F |
Product Overview
ChemDiv2_007951 (CAS 443349-56-2), with molecular formula C22H21F2N3O2S and molecular weight 429.13 g/mol. IUPAC: 2-[(2,6-difluorophenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one.
Chemical Property Profile of ChemDiv2_007951
Property Insights of ChemDiv2_007951
The XLogP value of 3.9795 indicates that ChemDiv2_007951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, ChemDiv2_007951 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_007951 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_007951?
The CAS number of ChemDiv2_007951 is 443349-56-2.
What is the molecular formula of ChemDiv2_007951?
The molecular formula of ChemDiv2_007951 is C22H21F2N3O2S.
What is the molecular weight of ChemDiv2_007951?
The molecular weight of ChemDiv2_007951 is 429.13 g/mol.
Where can I buy ChemDiv2_007951?
You can request a quote for ChemDiv2_007951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007951?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.